MC-GGFG-Exatecan

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C49H51FN8O11
Molecular Weight	946.9746
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC[C@@]1(O)C(=O)OCC2=C1C=C3N(CC4=C3N=C5C=C(F)C(C)=C6CC[C@H](NC(=O)CNC(=O)[C@H](CC7=CC=CC=C7)NC(=O)CNC(=O)CNC(=O)CCCCCN8C(=O)C=CC8=O)C4=C56)C2=O

InChI

InChIKey=XEKFDUNPKACYAY-SODISJPWSA-N

InChI=1S/C49H51FN8O11/c1-3-49(68)31-19-36-45-29(24-58(36)47(66)30(31)25-69-48(49)67)44-33(14-13-28-26(2)32(50)20-34(56-45)43(28)44)54-40(62)23-53-46(65)35(18-27-10-6-4-7-11-27)55-39(61)22-52-38(60)21-51-37(59)12-8-5-9-17-57-41(63)15-16-42(57)64/h4,6-7,10-11,15-16,19-20,33,35,68H,3,5,8-9,12-14,17-18,21-25H2,1-2H3,(H,51,59)(H,52,60)(H,53,65)(H,54,62)(H,55,61)/t33-,35-,49-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C49H51FN8O11
Molecular Weight	946.9746
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:54:46 GMT 2025` Edited by `admin` on `Wed Apr 02 19:54:46 GMT 2025`
Record UNII	N5T2U2WX4G
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MC-GGFG-Exatecan

Common Name

English

MC-GGFG-DX8951

Preferred Name

English

6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N-(2-((2-(((S)-1-((2-(((1S,9S)-9-ethyl-5-fluoro-9-hydroxy-4-methyl-10,13-dioxo-2,3,9,10,13,15-hexahydro-1H,12H-benzo[de]pyrano[3',4':6,7]indolizino[1,2-b]quinolin-1-yl)amino)-2-oxoethyl)amino)-1-oxo-3-phenylpropan

Systematic Name

English

Glycinamide, N-[6-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxohexyl]glycylglycyl-L-phenylalanyl-N-[(1S,9S)-9-ethyl-5-fluoro-2,3,9,10,13,15-hexahydro-9-hydroxy-4-methyl-10,13-dioxo-1H,12H-benzo[de]pyrano[3?,4?:6,7]indolizino[1,2-b]quinolin-1-yl]-

Systematic Name

English

N-[6-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxohexyl]glycylglycyl-L-phenylalanyl-N-[(1S,9S)-9-ethyl-5-fluoro-2,3,9,10,13,15-hexahydro-9-hydroxy-4-methyl-10,13-dioxo-1H,12H-benzo[de]pyrano[3?,4?:6,7]indolizino[1,2-b]quinolin-1-yl]glycinamide

Systematic Name

English

Code System Code Type Description

CAS

1600418-29-8

Created by admin on Wed Apr 02 19:54:46 GMT 2025 , Edited by admin on Wed Apr 02 19:54:46 GMT 2025

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PUBCHEM

118567450

Created by admin on Wed Apr 02 19:54:46 GMT 2025 , Edited by admin on Wed Apr 02 19:54:46 GMT 2025

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FDA UNII

N5T2U2WX4G

Created by admin on Wed Apr 02 19:54:46 GMT 2025 , Edited by admin on Wed Apr 02 19:54:46 GMT 2025

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